SCHEMBL8936614

SCHEMBL8936614

O=C(O)N1CCN=C1c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.56
THRB P10828 1/20 0.55
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
PTAFR P25105 1/20 0.41
LMNA P02545 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7944913 0.86 POLB (0.57) MEN1KMT2APOLBTHRBMAPT
SCHEMBL5121302 0.71 CA1 (0.66) CA1CA2CA4CA7PTAFR
SCHEMBL28172958 0.71 CA1 (0.49) MEN1KMT2AGAAALDH1A1RECQL
SCHEMBL122260 0.71 ADORA3 (0.46) POLBTHRBGAAALDH1A1RECQL
Hydrochloric Acid SCHEMBL1697524 0.69 CA1 (0.64) CA1CA2CA4CA7PTAFR
Propane SCHEMBL29156530 0.68 NPC1 (0.59) MEN1KMT2APOLBTHRBSMN1; SMN2
SCHEMBL9636319 0.68 GAA (0.44) MEN1KMT2APOLBTHRBGAA
SCHEMBL124028 0.67 POLB (0.46) MEN1KMT2APOLBTHRBGAA
SCHEMBL522530 0.66 CYP19A1 (0.41) MEN1KMT2APOLBMAPTGAA
SCHEMBL11135297 0.66 CYP2D6 (0.45) KMT2APOLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532355-A IMMUNOSUPPRESSANTS FOR ORGAN TRANSPLANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US claimed
US-5567709-A IMMUNOSUPPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-22 US disclosed
US-5559119-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US disclosed
US-5559112-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US disclosed
US-5532355-A IMMUNOSUPPRESSANTS FOR ORGAN TRANSPLANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US disclosed
US-5519031-A TREATMENT OF RESTENOSIS, IMMUNOSUPPRESIVE AGENTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES OR ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-21 US disclosed
US-5516780-A IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY, ANTIFUNGAL AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-14 US disclosed
US-5434260-A Treating transplantation rejection in mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1995-07-18 US disclosed