SCHEMBL11509832

SCHEMBL11509832

NCC(=O)c1cc(N)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ KDM4E B2RXH2 8/20 0.55
▸ TDP1 Q9NUW8 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ THRB P10828 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ MCL1 Q07820 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ KDR P35968 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ PKM P14618 1/20 0.55

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
SCHEMBL11508770 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL28402993 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL29364937 0.83 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL231377 0.83 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL11510484 0.82 KDM4E (0.49) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL28520448 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL2809853 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL2810654 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL11509544 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL27868359 0.80 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147802-A TREATMENT WITH AMINOCARBONYL SUBSTITUTED PARAAMINOBENZOIC ACID STANLEY DRUG PRODUCTS, INC. (US) 1979-04-03 — — US claimed
US-4147802-A TREATMENT WITH AMINOCARBONYL SUBSTITUTED PARAAMINOBENZOIC ACID STANLEY DRUG PRODUCTS, INC. (US) 1979-04-03 — — US disclosed
Send feedback