SCHEMBL21394620

SCHEMBL21394620

O=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1ccc(=O)n(C2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
TSHR P16473 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPY5R Q15761 5/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
GPR52 Q9Y2T5 3/20 0.36
P2RX7 Q99572 1/20 0.35
METAP2 P50579 5/20 0.35
F10 P00742 1/20 0.35
BRD4 O60885 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
SCHEMBL29353830 1.00 NPC1 (0.37) NPC1TSHRRAB9ASMN1; SMN2NPY5R
SCHEMBL21384487 0.88 ABCC8 (0.43) NPC1TSHRRAB9ASMN1; SMN2NPY5R
SCHEMBL29356900 0.88 KCNJ6 (0.42) NPC1TSHRRAB9ASMN1; SMN2NPY5R
SCHEMBL29353780 0.88 ABCC8 (0.43) NPC1TSHRRAB9ASMN1; SMN2NPY5R
SCHEMBL21394975 0.88 KCNJ6 (0.42) NPC1TSHRRAB9ASMN1; SMN2NPY5R
SCHEMBL21394766 0.87 ALDH1A1 (0.39) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29357041 0.85 L3MBTL1 (0.46) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394626 0.85 L3MBTL1 (0.46) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394503 0.85 ABCC8 (0.42) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394572 0.79 TSHR (0.44) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed