SCHEMBL30967902

SCHEMBL30967902

NNC(=O)c1cccc(Oc2ccc3[nH]ccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HDAC8 Q9BY41 2/20 0.46
▸ MAOA P21397 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ WNT3A P56704 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ THRA P10827 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.44
▸ TNKS O95271 1/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ PARP14 Q460N5 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HDAC3 O15379 1/20 0.43

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
SCHEMBL29237301 1.00 NPC1 (0.47) NPC1MAPTRAB9AHDAC8MAOA
SCHEMBL18941182 0.84 NPC1 (0.63) NPC1MAPTRAB9A
SCHEMBL16741838 0.84 AKR1C3 (0.59) NPC1MAPTRAB9AMAOACTNNB1
SCHEMBL29336679 0.83 KDR (0.54) NPC1MAPTRAB9AMAOACTNNB1
SCHEMBL31176922 0.82 HDAC6 (0.48) HDAC6
SCHEMBL18941171 0.81 AR (0.61) NPC1MAPTRAB9AMAOAKDM4E
SCHEMBL18941173 0.81 NPC1 (0.63) NPC1MAPTRAB9AMAOA
SCHEMBL30285529 0.81 F10 (0.43) NPC1RAB9AKDM4EALDH1A1
SCHEMBL3211677 0.80 F2 (0.57) NPC1MAPTRAB9AHDAC8MAOA
SCHEMBL18941056 0.80 RXFP1 (0.62) NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673137-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 — — EP disclosed
WO-2024182736-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
Send feedback