SCHEMBL31521295

SCHEMBL31521295

N#CC1(C(=O)c2cccc(F)c2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ P2RX7 Q99572 10/20 0.37
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ ALB P02768 1/20 0.34

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
SCHEMBL31521338 0.78 P2RX7 (0.44) CYP11B1ALDH1A1P2RX7CES2CES1
SCHEMBL785155 0.73 ALDH1A1 (0.65) CYP11B1ALDH1A1RAB9ASMN1; SMN2CES2
SCHEMBL7080990 0.70 CES2 (0.61) CYP11B1ALDH1A1RAB9ASMN1; SMN2CES2
SCHEMBL23079123 0.69 CES2 (0.48) CYP11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4442608 0.69 CES2 (0.48) CYP11B1ALDH1A1RAB9ASMN1; SMN2CES2
SCHEMBL333947 0.69 TSHR (0.63) CYP11B1ALDH1A1LMNASMN1; SMN2CES2
SCHEMBL4910880 0.68 PBRM1 (0.53) CYP11B1ALDH1A1LMNANPC1RAB9A
SCHEMBL8242079 0.68 KMT2A (0.49) CYP11B1ALDH1A1RAB9ASMN1; SMN2P2RX7
SCHEMBL31146017 0.68 KMT2A (0.49) CYP11B1ALDH1A1RAB9ASMN1; SMN2P2RX7
Hydrochloric Acid SCHEMBL785156 0.68 TSHR (0.61) CYP11B1ALDH1A1LMNASMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096957-A1 RAS-PI3K INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
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