SCHEMBL21941473

SCHEMBL21941473

c1ccc(-c2cccc(C3NNNN3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.40
▸ SLC5A2 P31639 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MGLL Q99685 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ HTR2A P28223 4/20 0.36
▸ HTR2C P28335 4/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KMO O15229 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ GP6 Q9HCN6 1/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL17573933 0.81 MAOA (0.41) MAOASLC5A2ALOX5ALDH1A1MGLL
SCHEMBL20226289 0.75 MAOA (0.36) MAOASLC5A2ALDH1A1MGLLKDM1A
SCHEMBL17433168 0.74 MEN1 (0.41) MAOAALDH1A1KDM1AHTR2CMEN1
SCHEMBL18731727 0.73 SLC5A2 (0.36) MAOASLC5A2ALDH1A1MGLLKDM1A
SCHEMBL20226291 0.73 ALDH1A1 (0.38) MAOASLC5A2ALDH1A1MGLLKDM1A
SCHEMBL15765759 0.72 KMT2A (0.53) ALDH1A1HTR2AHTR2CHTR2BHDAC4
SCHEMBL17413543 0.72 SLC5A2 (0.43) MAOASLC5A2ALDH1A1KDM4EMEN1
SCHEMBL17774227 0.70 ALDH1A1 (0.47) ALDH1A1KDM1AMEN1NPC1KMT2A
SCHEMBL21880352 0.70 HSD17B1 (0.42) ALOX5NPC1
SCHEMBL27948099 0.70 NPC1 (0.48) MAOASLC5A2ALDH1A1KDM1AHTR2A

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
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
Send feedback